2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

C8H5F3N4 — CID 2744601

IUPAC2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-1-2-7(13-3-6)15-5-12-4-14-15/h1-5H
InChIKeyLUWGRVMBUSNLRR-UHFFFAOYSA-N
MW214.15 g/mol
LogP1.68
Rot. Bonds1

About 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine

2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (PubChem CID 2744601) has the molecular formula C8H5F3N4 and a molecular weight of 214.15 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
PubChem CID2744601
Molecular FormulaC8H5F3N4
Molecular Weight214.15 g/mol
Exact Mass214.05
IUPAC Name2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C8H5F3N4/c9-8(10,11)6-1-2-7(13-3-6)15-5-12-4-14-15/h1-5H
InChIKeyLUWGRVMBUSNLRR-UHFFFAOYSA-N
XLogP1.68
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.15
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-1-(pyridin-2-yl)-1H-pyrazole-4-carbonitrile
CID 12709883
3-(Pyridin-3-yl)-1H-1,2,4-triazol-5-amine
CID 215363
2-(1H-imidazol-1-yl)-5-(trifluoromethyl)pyridine
CID 737967
2-[2-(2-Methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 72705478
Pyridotetrazole
CID 136089
N-(pyridin-3-ylmethyl)-1H-1,2,4-triazol-5-amine
CID 294856
1H-1,2,4-Triazole, 5-(4-pyridyl)-
CID 203621
(1,2,4)Triazolo(1,5-a)pyridine
CID 67508
2-(1,2,4-Triazol-1-yl)-3-(trifluoromethyl)pyridine
CID 2744602
8-Methyl-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 3808800
1-butyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 1817894
(E)-N-(pyridin-3-ylmethylene)-4H-1,2,4-triazol-4-amine
CID 6858569

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine (CID 2744601) is 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(-n2cncn2)nc1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
The InChIKey is LUWGRVMBUSNLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N4/c9-8(10,11)6-1-2-7(13-3-6)15-5-12-4-14-15/h1-5H.
What are the key properties of 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine?
2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine has a molecular weight of 214.15 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 2744601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).